3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one

C23H24N2O3 — CID 135473446

IUPAC3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one
SMILESCCO/N=C(\C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H24N2O3/c1-4-19-21(17-12-8-6-9-13-17)25(18-14-10-7-11-15-18)23(27)20(22(19)26)16(3)24-28-5-2/h6-15,26H,4-5H2,1-3H3/b24-16+
InChIKeyLMNDPHVADJOLID-LFVJCYFKSA-N
MW376.46 g/mol
LogP4.53
Rot. Bonds6

About 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one

3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one (PubChem CID 135473446) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one
PubChem CID135473446
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one
SMILESCCO/N=C(\C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C23H24N2O3/c1-4-19-21(17-12-8-6-9-13-17)25(18-14-10-7-11-15-18)23(27)20(22(19)26)16(3)24-28-5-2/h6-15,26H,4-5H2,1-3H3/b24-16+
InChIKeyLMNDPHVADJOLID-LFVJCYFKSA-N
XLogP4.53
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-3-(1-hydroxyiminoethyl)-1,6-diphenyl-1,2-dihydropyridin-2-one
CID 135454245
3-Ethyl-6-hydroxy-1,2-diphenylpyridin-4-one
CID 54708956
6-tert-butyl-3-(N-ethoxyethanimidoyl)-4-hydroxy-1-phenyl-2(1H)-pyridinone
CID 135401326
5-ethyl-4-hydroxy-3-(N-hydroxyethanimidoyl)-1,6-diphenyl-2(1H)-pyridinone
CID 135401327
3-(N-ethoxyethanimidoyl)-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 135401339
4-hydroxy-3-(N-hydroxyethanimidoyl)-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 135401361
3-(N-ethoxyethanimidoyl)-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135401362
3-[N-(allyloxy)ethanimidoyl]-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 135473442
3-[N-(allyloxy)ethanimidoyl]-5-ethyl-4-hydroxy-1,6-diphenyl-2(1H)-pyridinone
CID 135473445
5-acetyl-4-hydroxy-6-(4-methylphenyl)-1-phenyl-2(1H)-pyridinone
CID 54691801
3-[N-(benzyloxy)ethanimidoyl]-4-hydroxy-6-isopropyl-1-phenyl-2(1H)-pyridinone
CID 135401416
3-acetyl-4-hydroxy-5-methyl-1,6-diphenyl-2(1H)-pyridinone
CID 54687627

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one?
The IUPAC name of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one (CID 135473446) is 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one?
The canonical SMILES for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one is CCO/N=C(\C)c1c(O)c(CC)c(-c2ccccc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one?
The InChIKey is LMNDPHVADJOLID-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-4-19-21(17-12-8-6-9-13-17)25(18-14-10-7-11-15-18)23(27)20(22(19)26)16(3)24-28-5-2/h6-15,26H,4-5H2,1-3H3/b24-16+.
What are the key properties of 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one?
3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-N-ethoxy-C-methylcarbonimidoyl]-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 135473446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).